Compound Detail
CHEMBL2079375
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O=C(O)c1ccc2c(ccn2-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1
Basic Information
| ChEMBL ID | CHEMBL2079375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPSQJAOEPOVWAK-AGRFSFNASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
449.8
MW (Da)
1.16
ALogP
8
HBA
5
HBD
141.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Displacement of biotinylated-TM PAA from Escherichia coli FimH expressed in Esch... | 23088608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23088608 | 10.1021/jm3010338 | Unchecked | 2 |
| 23088608 | 10.1021/jm3010338 | Macrophage mannose receptor 1 | 2 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member C | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 6 member A | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member K | 1 |
| 23088608 | 10.1021/jm3010338 | Pulmonary surfactant-associated protein D | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member M | 1 |
| 23088608 | 10.1021/jm3010338 | CD209 antigen | 1 |
| 23088608 | 10.1021/jm3010338 | Mannose-binding protein C | 1 |
Data from ChEMBL 36 via Core Engine